UCSF

ZINC62962509

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 19 No

Popular Name: (3R)-3-(aminomethyl)-N-methyl-1,1-dioxo-N-[2-(4-pyridyl)ethyl]thiolan-3-amine (3R)-3-(aminomethyl)-N-methyl-1,…

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Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.75 -0.01 -68.21 3 5 1 78 284.405 5 ↓
Hi High (pH 8-9.5) -0.75 -0.35 -13.16 2 5 0 76 283.397 5 ↓
Mid Mid (pH 6-8) -0.75 0.45 -118.3 4 5 2 79 285.413 5 ↓

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Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.